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	hartrees
Energy at 0K	-270.654006
Energy at 298.15K	-270.663429
Nuclear repulsion energy	288.767920

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3321	3103	6.46
2	A₁	3208	2998	7.64
3	A₁	3144	2938	36.13
4	A₁	1651	1543	0.10
5	A₁	1545	1443	0.16
6	A₁	1295	1210	3.16
7	A₁	1154	1078	0.19
8	A₁	979	914	2.23
9	A₁	925	864	4.64
10	A₁	803	751	1.34
11	A₁	751	702	49.95
12	A₁	436	408	3.94
13	A₂	3294	3078	0.00
14	A₂	1339	1251	0.00
15	A₂	1303	1217	0.00
16	A₂	1166	1089	0.00
17	A₂	958	895	0.00
18	A₂	904	845	0.00
19	A₂	728	681	0.00
20	A₂	457	427	0.00
21	B₁	3319	3101	17.91
22	B₁	3221	3010	31.46
23	B₁	1613	1507	3.76
24	B₁	1272	1189	1.24
25	B₁	1109	1037	0.18
26	B₁	1061	991	0.19
27	B₁	951	888	1.26
28	B₁	684	639	31.21
29	B₁	515	481	5.38
30	B₂	3296	3080	7.61
31	B₂	3206	2996	48.57
32	B₂	1381	1291	18.65
33	B₂	1311	1225	0.02
34	B₂	1205	1126	0.58
35	B₂	994	929	0.00
36	B₂	923	862	0.03
37	B₂	905	845	3.69
38	B₂	835	780	5.92
39	B₂	557	521	1.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.343
C2	0.000	1.117	0.272
C3	0.000	-1.117	0.272
C4	1.234	0.671	-0.517
C5	1.234	-0.671	-0.517
C6	-1.234	0.671	-0.517
C7	-1.234	-0.671	-0.517
H8	-0.898	0.000	1.961
H9	0.898	0.000	1.961
H10	0.000	2.149	0.614
H11	0.000	-2.149	0.614
H12	1.920	1.336	-1.018
H13	1.920	-1.336	-1.018
H14	-1.920	1.336	-1.018
H15	-1.920	-1.336	-1.018

	C1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5483	1.5483	2.3309	2.3309	2.3309	2.3309	1.0895	1.0895	2.2694	2.2694	3.3241	3.3241	3.3241	3.3241
C2	1.5483		2.2348	1.5306	2.3117	1.5306	2.3117	2.2152	2.2152	1.0869	3.2843	2.3235	3.3719	2.3235	3.3719
C3	1.5483	2.2348		2.3117	1.5306	2.3117	1.5306	2.2152	2.2152	3.2843	1.0869	3.3719	2.3235	3.3719	2.3235
C4	2.3309	1.5306	2.3117		1.3430	2.4677	2.8095	3.3364	2.5885	2.2325	3.2796	1.0790	2.1800	3.2621	3.7722
C5	2.3309	2.3117	1.5306	1.3430		2.8095	2.4677	3.3364	2.5885	3.2796	2.2325	2.1800	1.0790	3.7722	3.2621
C6	2.3309	1.5306	2.3117	2.4677	2.8095		1.3430	2.5885	3.3364	2.2325	3.2796	3.2621	3.7722	1.0790	2.1800
C7	2.3309	2.3117	1.5306	2.8095	2.4677	1.3430		2.5885	3.3364	3.2796	2.2325	3.7722	3.2621	2.1800	1.0790
H8	1.0895	2.2152	2.2152	3.3364	3.3364	2.5885	2.5885		1.7956	2.6902	2.6902	4.3127	4.3127	3.4210	3.4210
H9	1.0895	2.2152	2.2152	2.5885	2.5885	3.3364	3.3364	1.7956		2.6902	2.6902	3.4210	3.4210	4.3127	4.3127
H10	2.2694	1.0869	3.2843	2.2325	3.2796	2.2325	3.2796	2.6902	2.6902		4.2979	2.6482	4.3007	2.6482	4.3007
H11	2.2694	3.2843	1.0869	3.2796	2.2325	3.2796	2.2325	2.6902	2.6902	4.2979		4.3007	2.6482	4.3007	2.6482
H12	3.3241	2.3235	3.3719	1.0790	2.1800	3.2621	3.7722	4.3127	3.4210	2.6482	4.3007		2.6719	3.8404	4.6784
H13	3.3241	3.3719	2.3235	2.1800	1.0790	3.7722	3.2621	4.3127	3.4210	4.3007	2.6482	2.6719		4.6784	3.8404
H14	3.3241	2.3235	3.3719	3.2621	3.7722	1.0790	2.1800	3.4210	4.3127	2.6482	4.3007	3.8404	4.6784		2.6719
H15	3.3241	3.3719	2.3235	3.7722	3.2621	2.1800	1.0790	3.4210	4.3127	4.3007	2.6482	4.6784	3.8404	2.6719

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	98.410	C1	C2	C6	98.410
C1	C2	H10	117.830	C1	C3	C5	98.410
C1	C3	C7	98.410	C1	C3	H11	117.830
C2	C1	C3	92.389	C2	C1	H8	113.086
C2	C1	H9	113.086	C2	C4	C5	106.938
C2	C4	H12	124.947	C2	C6	C7	106.938
C2	C6	H14	124.947	C3	C1	H8	113.086
C3	C1	H9	113.086	C3	C5	C4	106.938
C3	C5	H13	124.947	C3	C7	C6	106.938
C3	C7	H15	124.947	C4	C2	C6	107.440
C4	C2	H10	116.025	C4	C5	H13	128.011
C5	C3	C7	107.440	C5	C3	H11	116.025
C5	C4	H12	128.011	C6	C2	H10	116.025
C6	C7	H15	128.011	C7	C3	H11	116.025
C7	C6	H14	128.011	H8	C1	H9	110.991

All results from a given calculation for C₇H₈ (Norbornadiene)

using model chemistry: MP2=FULL/6-31G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C7H8 (Norbornadiene)

using model chemistry: MP2=FULL/6-31G**

States and conformations

All results from a given calculation for C₇H₈ (Norbornadiene)